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8BUN
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BU of 8bun by Molmil
Structure of DDB1 bound to DS16-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
7KNE
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BU of 7kne by Molmil
Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
Deposit date:2020-11-04
Release date:2020-12-16
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
8BU2
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BU of 8bu2 by Molmil
Structure of DDB1 bound to DS18-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BO0
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BU of 8bo0 by Molmil
Solution structure of Lqq4 toxin from Leiurus quinquestriatus quinquestriatus
Descriptor: Alpha-toxin Lqq4
Authors:Mineev, K.S, Motov, V.V, Vassilevski, A.A, Chernykh, M.A, Kuzmenkov, A.I.
Deposit date:2022-11-14
Release date:2023-09-20
Last modified:2023-10-04
Method:SOLUTION NMR
Cite:A scorpion toxin affecting sodium channels shows double cis-trans isomerism.
Febs Lett., 597, 2023
7L0Y
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BU of 7l0y by Molmil
Human Bocavirus 1 (pH 2.6)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
5VK0
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BU of 5vk0 by Molmil
Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-04-20
Release date:2018-04-25
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
5VFR
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BU of 5vfr by Molmil
Nucleotide-driven Triple-state Remodeling of the AAA-ATPase Channel in the Activated Human 26S Proteasome
Descriptor: 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, 26S proteasome non-ATPase regulatory subunit 12, ...
Authors:Zhu, Y, Wang, W.L, Yu, D, Ouyang, Q, Lu, Y, Mao, Y.
Deposit date:2017-04-09
Release date:2018-07-18
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural mechanism for nucleotide-driven remodeling of the AAA-ATPase unfoldase in the activated human 26S proteasome.
Nat Commun, 9, 2018
7VNY
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BU of 7vny by Molmil
Rba sphaeroides WT RC-LH1 monomer
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, ...
Authors:Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
Deposit date:2021-10-12
Release date:2022-06-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
8BUF
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BU of 8buf by Molmil
Structure of DDB1 bound to Z12-engaged CDK12-cyclin K
Descriptor: 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUP
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BU of 8bup by Molmil
Structure of DDB1 bound to DS30-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
7L0X
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BU of 7l0x by Molmil
Human Bocavirus 2 (pH 2.6)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
7VP9
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BU of 7vp9 by Molmil
Crystal structure of human ClpP in complex with ZG111
Descriptor: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
Authors:Wang, P.Y, Gan, J.H, Yang, C.-G.
Deposit date:2021-10-15
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.552 Å)
Cite:Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma.
Cell Chem Biol, 29, 2022
7KP7
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BU of 7kp7 by Molmil
asymmetric mTNF-alpha hTNFR1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tumor necrosis factor, ...
Authors:Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T.
Deposit date:2020-11-10
Release date:2021-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
7VEB
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BU of 7veb by Molmil
Phycocyanin rod structure of cyanobacterial phycobilisome
Descriptor: C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN, ...
Authors:Kawakami, K, Hamaguchi, T, Hirose, Y, Kosumi, D, Miyata, M, Kamiya, N, Yonekura, K.
Deposit date:2021-09-08
Release date:2022-06-15
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Core and rod structures of a thermophilic cyanobacterial light-harvesting phycobilisome.
Nat Commun, 13, 2022
7KHV
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BU of 7khv by Molmil
CpOGA IN COMPLEX WITH LIGAND 54
Descriptor: CALCIUM ION, CHLORIDE ION, N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide, ...
Authors:Shaffer, P.L.
Deposit date:2020-10-22
Release date:2020-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Diazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders.
J.Med.Chem., 63, 2020
4Z91
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BU of 4z91 by Molmil
ELIC cocrystallized with isofluorane in a desensitized state
Descriptor: (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 1.7.6 3-bromanylpropan-1-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Chen, Q, Kinde, M.N, Arjunan, P, Cohen, A, Xu, Y, Tang, P.
Deposit date:2015-04-09
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3915 Å)
Cite:Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.
Sci Rep, 5, 2015
5VKU
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BU of 5vku by Molmil
An atomic structure of the human cytomegalovirus (HCMV) capsid with its securing layer of pp150 tegument protein
Descriptor: Major capsid protein, Small capsomere-interacting protein, Tegument protein pp150, ...
Authors:Yu, X, Jih, J, Jiang, J, Zhou, H.
Deposit date:2017-04-24
Release date:2017-06-28
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Atomic structure of the human cytomegalovirus capsid with its securing tegument layer of pp150.
Science, 356, 2017
7KS6
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BU of 7ks6 by Molmil
STRUCTURE OF TETRASACCHARIDE BUILDING BLOCK OF A SULFATED FUCAN FROM LYTECHINUS VARIEGATUS
Descriptor: 4-O-sulfo-alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose
Authors:Kim, S.B, Thara, R, Aderibigbe, A.O, Doerksen, R.J, Pomin, V.H.
Deposit date:2020-11-21
Release date:2020-12-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Conformational properties of l-fucose and the tetrasaccharide building block of the sulfated l-fucan from Lytechinus variegatus.
J.Struct.Biol., 209, 2020
7KSG
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BU of 7ksg by Molmil
SARS-CoV-2 spike in complex with nanobodies E
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody against SARS-CoV-2 glycoprotein, Spike glycoprotein
Authors:Hallberg, B.M, Das, H.
Deposit date:2020-11-22
Release date:2021-01-20
Last modified:2021-06-30
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
7KNB
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BU of 7knb by Molmil
Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-11-04
Release date:2020-12-09
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
5VF4
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BU of 5vf4 by Molmil
Thermus aquaticus variable protein (TaqVP) from diversity-generating retroelements (DGR)
Descriptor: ACETATE ION, CALCIUM ION, Uncharacterized protein
Authors:Handa, S, Ghosh, P.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure of a Thermus aquaticus diversity-generating retroelement variable protein.
PLoS ONE, 14, 2019
7VRV
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BU of 7vrv by Molmil
VAS5 Spike (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhen, C, Wang, X.
Deposit date:2021-10-25
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:VAS5 Spike(1 RBD up)
To Be Published
7VRW
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BU of 7vrw by Molmil
VAS5 Spike (3 RBD down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhen, C, Wang, X.
Deposit date:2021-10-25
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:VAS5 Spike (3-RBD down)
To Be Published
7VEA
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BU of 7vea by Molmil
Pentacylindrical allophycocyanin core from Thermosynechococcus vulcanus
Descriptor: Allophycocyanin alpha chain, Allophycocyanin beta chain, PHYCOCYANOBILIN, ...
Authors:Kawakami, K, Hamaguchi, T, Hirose, Y, Kosumi, D, Miyata, M, Kamiya, N, Yonekura, K.
Deposit date:2021-09-08
Release date:2022-06-22
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Core and rod structures of a thermophilic cyanobacterial light-harvesting phycobilisome.
Nat Commun, 13, 2022
8BUD
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BU of 8bud by Molmil
Structure of DDB1 bound to Z7-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024

225681

数据于2024-10-02公开中

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